UCSF

ZINC00126185

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: 1-Ethyl-2-methyl-1,3-benzodiazole-5-carbonitrile 1-Ethyl-2-methyl-1,3-benzodiazol…

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CAS Numbers: 62306-08-5 , [62306-08-5]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.69 6.89 -10.07 0 3 0 42 185.23 1 ↓
Lo Low (pH 4.5-6) 1.69 7.33 -34.59 1 3 1 43 186.238 1 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )